SCHEMBL6142174

SCHEMBL6142174

Cc1c(NC(=N)N)ccc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
DPP4 P27487 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
VCP P55072 1/20 0.31
ABL1 P00519 1/20 0.31
PTGES O14684 1/20 0.31
QPCT Q16769 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7028437 0.85 LMNA (0.40) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL6142360 0.83 LMNA (0.40) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL27269511 0.79 PDPK1 (0.40) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL7028440 0.78 PARP1 (0.38) LMNAPARP1ALDH1A1PKMMEN1
SCHEMBL6142162 0.76 PARP1 (0.43) PARP1VCPPTGES
SCHEMBL6142539 0.75 PDPK1 (0.30) MEN1KMT2A
Bromide SCHEMBL6142159 0.74
SCHEMBL6142180 0.73 CYP3A4 (0.48) LMNAPARP1ALDH1A1MEN1KMT2A
SCHEMBL27434863 0.72 PARP1 (0.33) PARP1MEN1KMT2A
SCHEMBL7206716 0.70 NPC1 (0.33) NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP claimed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US claimed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US claimed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US claimed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP claimed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO claimed
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP disclosed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US disclosed
US-6391878-B2 COMPOUNDS SUCH AS (4,7-DIMETHYLBENZIMIDAZOL-5-YL)GUANIDINE; TREATING NASAL CONGESTION, OTITIS MEDIA, ASTHMA, PAIN, MIGRAINE, GASTROINTESTINAL DISORDER, ULCER THE PROCTER & GAMBLE COMPANY 2002-05-21 US disclosed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US disclosed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US disclosed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer ADRB2, ADRA2C, ADRA2B LMNA 954/4885PARP1 3103/4885ALDH1A1 1083/4885
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A LMNA 849/4885PARP1 2870/4885ALDH1A1 722/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.